General Information of the Compound
| Compound ID |
CP0920763
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| Compound Name |
4-(4-Chloro-phenyl)-1-(4-cyano-4-naphthalen-2-yl-butyl)-4-hydroxy-1-methyl-piperidinium iodide
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| Structure |
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| Formula |
C27H30ClIN2O
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| Molecular Weight |
560.907
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| Canonical SMILES |
C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1.[I-]
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| InChI |
InChI=1S/C27H30ClN2O.HI/c1-30(17-14-27(31,15-18-30)25-10-12-26(28)13-11-25)16-4-7-24(20-29)23-9-8-21-5-2-3-6-22(21)19-23;/h2-3,5-6,8-13,19,24,31H,4,7,14-18H2,1H3;1H/q+1;/p-1
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| InChIKey |
FRCNNIVVHPUQDZ-UHFFFAOYSA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound